Dataset

Liquiritin; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01676 contains the MS2 mass spectrum of Liquiritin with the InChIkey DEMKZLAVQYISIA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2
SMILES C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O
InChI Key DEMKZLAVQYISIA-UHFFFAOYSA-N
Molecular Formula C21H22O9
Exact Mass 418.126 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01676
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 7-hydroxy-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13931703 surechembl
    3794292 pubchem
    PD056314 probes_and_drugs
    HMDB0029520 hmdb
    The data in this table is sourced from UniChem at EBI.